Marvin  05171311482D          

  7  6  0  0  0  0            999 V2000
    8.8573   -8.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5648   -9.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7188   -8.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5711   -8.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2859   -8.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2921   -7.5152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9990   -8.7505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
> <ID>
CHEBI:73689

> <NAME>
methyl isobutyrate

> <DEFINITION>
The fatty acid methyl ester of isobutyric acid.

> <STAR>
3

> <IUPAC_NAME>
methyl 2-methylpropanoate

> <FORMULA>
C5H10O2

> <MASS>
102.13170

> <MONOISOTOPIC_MASS>
102.06808

> <CHARGE>
0

> <SMILES>
COC(=O)C(C)C

> <INCHI>
InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3

> <INCHIKEY>
BHIWKHZACMWKOJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
547-63-7

> <REAXYS_REGISTRY_NUMBER>
1740720

> <CHEMIDPLUS>
547-63-7

> <PUBMED_CITATION>
19746921

$$$$